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PUBCHEM-ZINC05297699

 MMsINC code: MMs03235135
Type: Neutral
Formula: C10H20O
SMILES:   O1CCCC1CCCCCC
InChI:   InChI=1/C10H20O/c1-2-3-4-5-7-10-8-6-9-11-10/h10H,2-9H2,1H3/t10-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.7531 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.269 g/mol  logS: -2.87542  SlogP: 3.1358  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0479304  Sterimol/B1: 2.88307  Sterimol/B2: 2.9291  Sterimol/B3: 2.98248
  Sterimol/B4: 3.69834  Sterimol/L: 14.5189 
 
 Surface and Volume Properties
  Accessible surface: 413.303  Positive charged surface: 344.683  Negative charged surface: 68.6203  Volume: 186.5
  Hydrophobic surface: 381.383  Hydrophilic surface: 31.92
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.